SCHEMBL4750828

SCHEMBL4750828

CCC(Oc1cc(Cl)cc2c1OC(C)(C)C2)N1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.51
ADRA2A P08913 2/20 0.51
DRD2 P14416 2/20 0.51
HTR2A P28223 2/20 0.51
SLC6A4 P31645 2/20 0.51
DRD3 P35462 2/20 0.51
OPRM1 P35372 8/20 0.49
PLD1 Q13393 3/20 0.44
TNKS O95271 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
PLD2 O14939 2/20 0.43
MEN1 O00255 1/20 0.42
SLC22A2 O15244 1/20 0.42
NR1I2 O75469 1/20 0.42
GMNN O75496 1/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
GLA P06280 1/20 0.42
ADRB2 P07550 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4752455 0.94 OPRM1 (0.47) HTR1AADRA2ADRD2HTR2ASLC6A4
Hydrochloric Acid SCHEMBL4817572 0.93 OPRM1 (0.45) HTR1AADRA2ADRD2HTR2ASLC6A4
SCHEMBL4754022 0.87 OPRM1 (0.49) HTR1AADRA2ADRD2HTR2ASLC6A4
SCHEMBL4752471 0.84 OPRM1 (0.42) HTR1ADRD2HTR2ADRD3OPRM1
SCHEMBL4753001 0.83 DRD2 (0.58) HTR1AADRA2ADRD2HTR2ASLC6A4
SCHEMBL4754005 0.81 DRD2 (0.42) DRD2SLC6A4OPRM1CYP3A4HSD11B1
SCHEMBL4750861 0.80 PLD2 (0.45) DRD2OPRM1PLD1PLD2HSD11B1
SCHEMBL4750799 0.77 POLB (0.42) HTR2A
Hydrochloric Acid SCHEMBL4787868 0.75 DRD2 (0.50) HTR1AADRA2ADRD2HTR2ASLC6A4
SCHEMBL4855972 0.73 OPRL1 (0.65) OPRM1PLD1PLD2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008146064-A1 NEW BENZOFURAN DERIVATIVES AS SELECTIVE 5HT7 RECEPTOR INHIBITORS AND PROCESS FOR THEIR PREPARATION EGIS GYÓGYSZERGYÁR (HU) 2008-12-04 WO claimed
WO-2008146064-A1 NEW BENZOFURAN DERIVATIVES AS SELECTIVE 5HT7 RECEPTOR INHIBITORS AND PROCESS FOR THEIR PREPARATION EGIS GYÓGYSZERGYÁR (HU) 2008-12-04 WO disclosed